PM7 Accuracy

sec-butyl-tert-butyl ether    849 sec-Butyl-tert-butyl ether

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    #  Species Formula
   839 2-OctanoneC8H16O
   840 3,3,4-Trimethyl pentan-2-oneC8H16O
   841 3-OctanoneC8H16O
   842 4-OctanoneC8H16O
   843 OctanalC8H16O
   844 1-OctanolC8H18O
   845 1-Tert-butoxybutaneC8H18O
   846 2-(1,1-Dimethylethoxy)-butaneC8H18O
   847 Di-n-butyl etherC8H18O
   848 Di-sec-butyl etherC8H18O
   849 sec-Butyl-tert-butyl ether C8H18O
   850 tert-Butyl etherC8H18O
   851 tert-Butyl isobutyl etherC8H18O
   852 3,4-Dihydro-1H-2-benzopyranC9H10O
   853 3,4-Dihydro-2H-1-benzopyranC9H10O
   854 Benzyl methyl ketoneC9H10O
   855 2(-1-Methylethyl)-phenolC9H12O
   856 2,4,6-Trimethyl phenolC9H12O
   857 3(-1-Methylethyl)-phenolC9H12O
   858 4-(-1-Methylethyl)-phenolC9H12O
   859 2,6,6-Trimethyl-2-cyclohexen-1-oneC9H14O


DHf: -88.0 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
sec-Butyl-tert-butyl ether
 H=-88.0 HR=NIST
  C     0.17823709  1  -0.11064432  1  -0.13313118  1
  C    -0.01953629  1   0.83580806  1  -1.32013646  1
  C    -1.50813026  1   0.85188311  1  -1.71923526  1
  O    -1.50189418  1   1.42677687  1  -3.01545752  1
  C    -2.75343089  1   1.55716699  1  -3.67182178  1
  C    -3.38683949  1   0.18342396  1  -3.92167533  1
  C    -3.69910945  1   2.46729262  1  -2.88007880  1
  C    -2.33417726  1   2.21652553  1  -4.99670437  1
  C     0.44962561  1   2.25091966  1  -0.97520427  1
  H    -0.43048295  1   0.18836265  1   0.72694497  1
  H    -3.76153617  1  -0.26863364  1  -2.99912562  1
  H     1.22467233  1  -0.11573893  1   0.19345466  1
  H     0.56894031  1   0.46419413  1  -2.19573969  1
  H    -1.92751889  1  -0.16655881  1  -1.76520391  1
  H    -2.11106763  1   1.47007563  1  -1.03510920  1
  H    -2.65241548  1  -0.50625275  1  -4.35403594  1
  H    -0.08825434  1  -1.14105608  1  -0.39131155  1
  H    -4.22797956  1   0.25789767  1  -4.61793581  1
  H    -4.08326658  1   1.97532886  1  -1.98215376  1
  H    -3.17977796  1   3.37937487  1  -2.56225774  1
  H    -4.55966664  1   2.76572039  1  -3.48653179  1
  H    -1.83832685  1   3.17670967  1  -4.81192223  1
  H    -1.61558818  1   1.58435759  1  -5.53252686  1
  H    -3.19462743  1   2.38928614  1  -5.64608475  1
  H     0.26151830  1   2.93205144  1  -1.81625918  1
  H    -0.07630930  1   2.65178646  1  -0.10295624  1
  H     1.52254861  1   2.27637861  1  -0.76060631  1